4-amino-7-(1-fluoro-2-methylpropan-2-yl)-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

C19H22FN5O2 — CID 134164075

IUPAC4-amino-7-(1-fluoro-2-methylpropan-2-yl)-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCOCc1ccc(NC(=O)c2cn(C(C)(C)CF)c3ncnc(N)c23)cc1
InChIInChI=1S/C19H22FN5O2/c1-19(2,10-20)25-8-14(15-16(21)22-11-23-17(15)25)18(26)24-13-6-4-12(5-7-13)9-27-3/h4-8,11H,9-10H2,1-3H3,(H,24,26)(H2,21,22,23)
InChIKeyOYBHGWDRGKZLRC-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.12
Rot. Bonds6

About 4-amino-7-(1-fluoro-2-methylpropan-2-yl)-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

4-amino-7-(1-fluoro-2-methylpropan-2-yl)-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 134164075) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-amino-7-(1-fluoro-2-methylpropan-2-yl)-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-7-(1-fluoro-2-methylpropan-2-yl)-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID134164075
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name4-amino-7-(1-fluoro-2-methylpropan-2-yl)-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCOCc1ccc(NC(=O)c2cn(C(C)(C)CF)c3ncnc(N)c23)cc1
InChIInChI=1S/C19H22FN5O2/c1-19(2,10-20)25-8-14(15-16(21)22-11-23-17(15)25)18(26)24-13-6-4-12(5-7-13)9-27-3/h4-8,11H,9-10H2,1-3H3,(H,24,26)(H2,21,22,23)
InChIKeyOYBHGWDRGKZLRC-UHFFFAOYSA-N
XLogP3.12
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-7-(1-fluoro-2-methylpropan-2-yl)-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Vepafestinib
CID 134164132
ethyl 4-(5-acrylamido-2-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 118705186
Jak3-IN-6
CID 89629876
methyl 3-[[4-(aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 122189152
methyl 3-[[4-[(dimethylamino)methyl]-1-(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 122189174
Methyl 4-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzoate
CID 162658380
ethyl 4-[4-fluoro-3-(2-fluoroprop-2-enoylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71571570
ethyl 4-[3-fluoro-5-(2-methylprop-2-enoylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71599329
ethyl 4-{3-[(2-fluoroacryloyl)amino]phenyl}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71599414
Ethyl 4-{2-fluoro-5-[(2-methylacryloyl)amino]phenyl}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71599508
ethyl 4-[3-(2-methylidenebutanoylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71599597
ethyl 4-[3-(prop-2-enoylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71599598

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-(1-fluoro-2-methylpropan-2-yl)-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-7-(1-fluoro-2-methylpropan-2-yl)-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 134164075) is 4-amino-7-(1-fluoro-2-methylpropan-2-yl)-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-7-(1-fluoro-2-methylpropan-2-yl)-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-7-(1-fluoro-2-methylpropan-2-yl)-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide is COCc1ccc(NC(=O)c2cn(C(C)(C)CF)c3ncnc(N)c23)cc1.
What is the InChIKey of 4-amino-7-(1-fluoro-2-methylpropan-2-yl)-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is OYBHGWDRGKZLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-19(2,10-20)25-8-14(15-16(21)22-11-23-17(15)25)18(26)24-13-6-4-12(5-7-13)9-27-3/h4-8,11H,9-10H2,1-3H3,(H,24,26)(H2,21,22,23).
What are the key properties of 4-amino-7-(1-fluoro-2-methylpropan-2-yl)-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-amino-7-(1-fluoro-2-methylpropan-2-yl)-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-(1-fluoro-2-methylpropan-2-yl)-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 134164075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).